CID 485479

5-allyl-10h-indolo[3,2-b]quinolin-5-ium

Structural Information

Molecular Formula
C18H15N2
SMILES
C=CC[N+]1=C2C3=CC=CC=C3NC2=CC4=CC=CC=C41
InChI
InChI=1S/C18H14N2/c1-2-11-20-17-10-6-3-7-13(17)12-16-18(20)14-8-4-5-9-15(14)19-16/h2-10,12H,1,11H2/p+1
InChIKey
FTSWEQUAKJNJBN-UHFFFAOYSA-O
Compound name
5-prop-2-enyl-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.12354 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13082 161.5
[M+Na]+ 282.11276 173.3
[M-H]- 258.11626 165.1
[M+NH4]+ 277.15736 179.9
[M+K]+ 298.08670 159.5
[M+H-H2O]+ 242.12080 155.9
[M+HCOO]- 304.12174 181.6
[M+CH3COO]- 318.13739 173.6
[M+Na-2H]- 280.09821 172.3
[M]+ 259.12299 162.8
[M]- 259.12409 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.